1 ASP 28 N -0.0777 -0.0206 -0.0156 2 ASP 28 CA -0.0454 -0.0100 -0.0089 3 ASP 28 C -0.0200 -0.0133 -0.0035 4 ASP 28 O -0.0188 -0.0396 -0.0029 5 ASP 28 CB -0.0356 -0.0314 -0.0066 6 ASP 28 CG -0.0026 -0.0218 0.0003 7 ASP 28 OD1 0.0005 0.0066 0.0007 8 ASP 28 OD2 0.0200 -0.0427 0.0054 9 ASP 28 H -0.0956 -0.0191 -0.0195 10 ASP 28 HA -0.0474 0.0161 -0.0096 11 ASP 28 HB2 -0.0539 -0.0287 -0.0105 12 ASP 28 HB3 -0.0345 -0.0576 -0.0060 13 PRO 29 N -0.0435 -0.0201 0.0372 14 PRO 29 CA -0.0103 0.0017 0.0209 15 PRO 29 C 0.0287 -0.0399 0.0110 16 PRO 29 O 0.0524 -0.0682 0.0054 17 PRO 29 CB 0.0153 0.0459 0.0046 18 PRO 29 CG -0.0160 0.0576 0.0155 19 PRO 29 CD -0.0404 0.0072 0.0321 20 PRO 29 HA -0.0308 0.0180 0.0268 21 PRO 29 HB2 0.0526 0.0315 -0.0084 22 PRO 29 HB3 0.0172 0.0801 -0.0009 23 PRO 29 HG2 0.0071 0.0697 0.0046 24 PRO 29 HG3 -0.0439 0.0887 0.0223 25 PRO 29 HD2 -0.0178 -0.0160 0.0263 26 PRO 29 HD3 -0.0770 0.0167 0.0455 27 ASN 30 N 0.0312 -0.0353 0.0178 28 ASN 30 CA 0.0318 -0.0319 -0.0053 29 ASN 30 C 0.0251 -0.0442 -0.0101 30 ASN 30 O 0.0161 -0.0605 -0.0200 31 ASN 30 CB 0.0291 -0.0356 -0.0227 32 ASN 30 CG 0.0293 -0.0330 -0.0477 33 ASN 30 OD1 0.0375 -0.0165 -0.0574 34 ASN 30 ND2 0.0203 -0.0491 -0.0584 35 ASN 30 H 0.0378 -0.0234 0.0269 36 ASN 30 HA 0.0400 -0.0162 -0.0065 37 ASN 30 HB2 0.0348 -0.0250 -0.0192 38 ASN 30 HB3 0.0213 -0.0508 -0.0188 39 ASN 30 HD21 0.0139 -0.0621 -0.0499 40 ASN 30 HD22 0.0203 -0.0477 -0.0744 41 ALA 31 N 0.0117 -0.0718 0.0072 42 ALA 31 CA 0.0113 -0.0652 0.0027 43 ALA 31 C 0.0189 -0.0616 -0.0008 44 ALA 31 O 0.0251 -0.0626 -0.0010 45 ALA 31 CB 0.0103 -0.0657 0.0032 46 ALA 31 H 0.0168 -0.0736 0.0077 47 ALA 31 HA 0.0061 -0.0622 0.0014 48 ALA 31 HB1 0.0098 -0.0607 -0.0001 49 ALA 31 HB2 0.0155 -0.0686 0.0045 50 ALA 31 HB3 0.0049 -0.0682 0.0057 51 GLU 32 N 0.0183 -0.0143 0.0071 52 GLU 32 CA 0.0278 -0.0012 0.0081 53 GLU 32 C 0.0266 0.0021 0.0052 54 GLU 32 O 0.0349 0.0108 0.0076 55 GLU 32 CB 0.0267 0.0108 0.0003 56 GLU 32 CG 0.0148 0.0139 -0.0122 57 GLU 32 CD 0.0146 0.0262 -0.0195 58 GLU 32 OE1 0.0186 0.0386 -0.0229 59 GLU 32 OE2 0.0105 0.0239 -0.0218 60 GLU 32 H 0.0110 -0.0135 0.0001 61 GLU 32 HA 0.0362 -0.0030 0.0168 62 GLU 32 HB2 0.0340 0.0203 0.0015 63 GLU 32 HB3 0.0276 0.0079 0.0028 64 GLU 32 HG2 0.0073 0.0046 -0.0136 65 GLU 32 HG3 0.0136 0.0163 -0.0146 66 PHE 33 N 0.0126 0.0010 -0.0068 67 PHE 33 CA 0.0125 0.0060 -0.0077 68 PHE 33 C 0.0134 0.0081 -0.0094 69 PHE 33 O 0.0138 0.0058 -0.0094 70 PHE 33 CB 0.0093 0.0082 -0.0040 71 PHE 33 CG 0.0071 0.0070 -0.0009 72 PHE 33 CD1 0.0065 0.0096 -0.0006 73 PHE 33 CD2 0.0056 0.0033 0.0019 74 PHE 33 CE1 0.0045 0.0085 0.0022 75 PHE 33 CE2 0.0036 0.0022 0.0047 76 PHE 33 CZ 0.0030 0.0048 0.0049 77 PHE 33 H 0.0112 -0.0002 -0.0046 78 PHE 33 HA 0.0139 0.0065 -0.0097 79 PHE 33 HB2 0.0091 0.0119 -0.0046 80 PHE 33 HB3 0.0087 0.0070 -0.0030 81 PHE 33 HD1 0.0076 0.0125 -0.0027 82 PHE 33 HD2 0.0061 0.0013 0.0017 83 PHE 33 HE1 0.0040 0.0105 0.0024 84 PHE 33 HE2 0.0025 -0.0007 0.0069 85 PHE 33 HZ 0.0015 0.0039 0.0072 86 ASP 34 N 0.0049 0.0262 -0.0097 87 ASP 34 CA 0.0006 0.0269 -0.0086 88 ASP 34 C 0.0055 0.0246 -0.0101 89 ASP 34 O 0.0095 0.0188 -0.0117 90 ASP 34 CB -0.0066 0.0218 -0.0077 91 ASP 34 CG -0.0117 0.0231 -0.0063 92 ASP 34 OD1 -0.0101 0.0204 -0.0070 93 ASP 34 OD2 -0.0176 0.0269 -0.0045 94 ASP 34 H 0.0056 0.0210 -0.0106 95 ASP 34 HA -0.0009 0.0329 -0.0075 96 ASP 34 HB2 -0.0096 0.0230 -0.0068 97 ASP 34 HB3 -0.0050 0.0159 -0.0088 98 PRO 35 N 0.0080 0.0431 -0.0187 99 PRO 35 CA 0.0248 0.0470 -0.0144 100 PRO 35 C 0.0209 0.0415 -0.0147 101 PRO 35 O 0.0339 0.0448 -0.0114 102 PRO 35 CB 0.0290 0.0697 -0.0168 103 PRO 35 CG 0.0089 0.0779 -0.0240 104 PRO 35 CD -0.0029 0.0618 -0.0249 105 PRO 35 HA 0.0375 0.0391 -0.0094 106 PRO 35 HB2 0.0361 0.0757 -0.0157 107 PRO 35 HB3 0.0383 0.0727 -0.0146 108 PRO 35 HG2 0.0021 0.0802 -0.0264 109 PRO 35 HG3 0.0101 0.0920 -0.0259 110 PRO 35 HD2 -0.0178 0.0601 -0.0291 111 PRO 35 HD3 -0.0028 0.0656 -0.0255 112 ASP 36 N 0.0035 0.0141 -0.0173 113 ASP 36 CA -0.0036 -0.0219 -0.0071 114 ASP 36 C -0.0025 -0.0366 -0.0091 115 ASP 36 O 0.0007 -0.0679 -0.0147 116 ASP 36 CB -0.0240 -0.0242 0.0242 117 ASP 36 CG -0.0324 -0.0608 0.0364 118 ASP 36 OD1 -0.0271 -0.0823 0.0279 119 ASP 36 OD2 -0.0447 -0.0686 0.0551 120 ASP 36 H -0.0047 0.0328 -0.0043 121 ASP 36 HA 0.0053 -0.0369 -0.0212 122 ASP 36 HB2 -0.0241 -0.0149 0.0245 123 ASP 36 HB3 -0.0327 -0.0074 0.0380 124 LEU 37 N -0.0029 -0.0080 -0.0010 125 LEU 37 CA -0.0026 -0.0105 -0.0020 126 LEU 37 C 0.0033 -0.0097 -0.0125 127 LEU 37 O 0.0070 -0.0016 -0.0174 128 LEU 37 CB -0.0058 -0.0031 0.0053 129 LEU 37 CG -0.0122 -0.0056 0.0164 130 LEU 37 CD1 -0.0145 -0.0176 0.0179 131 LEU 37 CD2 -0.0145 -0.0033 0.0210 132 LEU 37 H -0.0027 -0.0002 0.0004 133 LEU 37 HA -0.0048 -0.0191 0.0000 134 LEU 37 HB2 -0.0043 0.0054 0.0046 135 LEU 37 HB3 -0.0044 -0.0037 0.0028 136 LEU 37 HG -0.0137 -0.0002 0.0203 137 LEU 37 HD11 -0.0190 -0.0190 0.0258 138 LEU 37 HD12 -0.0131 -0.0234 0.0141 139 LEU 37 HD13 -0.0131 -0.0188 0.0152 140 LEU 37 HD21 -0.0190 -0.0052 0.0287 141 LEU 37 HD22 -0.0131 0.0054 0.0204 142 LEU 37 HD23 -0.0130 -0.0086 0.0171 143 PRO 38 N -0.0010 -0.0061 -0.0067 144 PRO 38 CA 0.0012 -0.0060 -0.0113 145 PRO 38 C 0.0030 -0.0018 -0.0119 146 PRO 38 O 0.0024 -0.0006 -0.0097 147 PRO 38 CB 0.0003 -0.0102 -0.0126 148 PRO 38 CG -0.0023 -0.0131 -0.0094 149 PRO 38 CD -0.0031 -0.0101 -0.0053 150 PRO 38 HA 0.0020 -0.0062 -0.0131 151 PRO 38 HB2 0.0007 -0.0092 -0.0126 152 PRO 38 HB3 0.0013 -0.0117 -0.0158 153 PRO 38 HG2 -0.0032 -0.0152 -0.0090 154 PRO 38 HG3 -0.0026 -0.0152 -0.0104 155 PRO 38 HD2 -0.0037 -0.0093 -0.0034 156 PRO 38 HD3 -0.0046 -0.0117 -0.0034 157 GLY 39 N 0.0072 -0.0011 -0.0118 158 GLY 39 CA 0.0064 0.0014 -0.0121 159 GLY 39 C 0.0052 0.0036 -0.0113 160 GLY 39 O 0.0042 0.0057 -0.0106 161 GLY 39 H 0.0081 -0.0018 -0.0134 162 GLY 39 HA2 0.0070 0.0019 -0.0141 163 GLY 39 HA3 0.0059 0.0012 -0.0108 164 GLY 40 N 0.0079 0.0067 -0.0103 165 GLY 40 CA 0.0068 0.0098 -0.0084 166 GLY 40 C 0.0040 0.0093 -0.0067 167 GLY 40 O 0.0029 0.0117 -0.0052 168 GLY 40 H 0.0078 0.0055 -0.0105 169 GLY 40 HA2 0.0062 0.0107 -0.0077 170 GLY 40 HA3 0.0085 0.0116 -0.0089 171 GLY 41 N 0.0024 0.0037 -0.0042 172 GLY 41 CA 0.0004 0.0034 -0.0014 173 GLY 41 C 0.0017 0.0063 -0.0017 174 GLY 41 O 0.0003 0.0070 0.0008 175 GLY 41 H 0.0030 0.0013 -0.0064 176 GLY 41 HA2 -0.0006 0.0001 -0.0018 177 GLY 41 HA3 -0.0012 0.0044 0.0014 178 LEU 42 N 0.0060 0.0050 -0.0051 179 LEU 42 CA 0.0068 0.0067 -0.0054 180 LEU 42 C 0.0074 0.0046 -0.0065 181 LEU 42 O 0.0078 0.0056 -0.0066 182 LEU 42 CB 0.0090 0.0091 -0.0068 183 LEU 42 CG 0.0087 0.0115 -0.0059 184 LEU 42 CD1 0.0110 0.0137 -0.0075 185 LEU 42 CD2 0.0067 0.0134 -0.0036 186 LEU 42 H 0.0072 0.0046 -0.0063 187 LEU 42 HA 0.0054 0.0080 -0.0038 188 LEU 42 HB2 0.0104 0.0078 -0.0084 189 LEU 42 HB3 0.0095 0.0104 -0.0070 190 LEU 42 HG 0.0082 0.0103 -0.0058 191 LEU 42 HD11 0.0108 0.0154 -0.0069 192 LEU 42 HD12 0.0116 0.0150 -0.0078 193 LEU 42 HD13 0.0123 0.0124 -0.0091 194 LEU 42 HD21 0.0072 0.0147 -0.0037 195 LEU 42 HD22 0.0066 0.0151 -0.0030 196 LEU 42 HD23 0.0050 0.0119 -0.0024 197 HIS 43 N 0.0030 -0.0007 -0.0103 198 HIS 43 CA 0.0031 -0.0013 -0.0095 199 HIS 43 C 0.0030 0.0002 -0.0111 200 HIS 43 O 0.0032 0.0025 -0.0107 201 HIS 43 CB 0.0036 -0.0007 -0.0067 202 HIS 43 CG 0.0039 -0.0019 -0.0049 203 HIS 43 ND1 0.0039 -0.0044 -0.0039 204 HIS 43 CD2 0.0041 -0.0009 -0.0037 205 HIS 43 CE1 0.0041 -0.0049 -0.0024 206 HIS 43 NE2 0.0043 -0.0028 -0.0022 207 HIS 43 H 0.0031 0.0012 -0.0104 208 HIS 43 HA 0.0030 -0.0034 -0.0098 209 HIS 43 HB2 0.0038 0.0013 -0.0064 210 HIS 43 HB3 0.0037 -0.0015 -0.0062 211 HIS 43 HD1 0.0037 -0.0057 -0.0044 212 HIS 43 HD2 0.0042 0.0010 -0.0040 213 HIS 43 HE1 0.0042 -0.0067 -0.0013 214 HIS 43 HE2 0.0044 -0.0027 -0.0014 215 ARG 44 N 0.0068 0.0071 -0.0109 216 ARG 44 CA 0.0045 0.0040 -0.0091 217 ARG 44 C 0.0058 0.0057 -0.0117 218 ARG 44 O 0.0089 0.0100 -0.0126 219 ARG 44 CB 0.0044 0.0046 -0.0025 220 ARG 44 CG 0.0040 0.0044 0.0013 221 ARG 44 CD 0.0043 0.0055 0.0077 222 ARG 44 NE 0.0042 0.0057 0.0117 223 ARG 44 CZ 0.0040 0.0061 0.0176 224 ARG 44 NH1 0.0040 0.0064 0.0202 225 ARG 44 NH2 0.0038 0.0062 0.0209 226 ARG 44 H 0.0092 0.0107 -0.0102 227 ARG 44 HA 0.0019 0.0003 -0.0102 228 ARG 44 HB2 0.0067 0.0079 -0.0016 229 ARG 44 HB3 0.0022 0.0016 -0.0013 230 ARG 44 HG2 0.0015 0.0008 0.0008 231 ARG 44 HG3 0.0060 0.0071 -0.0003 232 ARG 44 HD2 0.0067 0.0089 0.0081 233 ARG 44 HD3 0.0022 0.0026 0.0090 234 ARG 44 HE 0.0042 0.0056 0.0097 235 ARG 44 HH11 0.0041 0.0063 0.0178 236 ARG 44 HH12 0.0039 0.0067 0.0246 237 ARG 44 HH21 0.0038 0.0060 0.0191 238 ARG 44 HH22 0.0036 0.0064 0.0253 239 CYS 45 N 0.0057 0.0048 -0.0152 240 CYS 45 CA 0.0063 0.0055 -0.0160 241 CYS 45 C 0.0060 0.0051 -0.0134 242 CYS 45 O 0.0044 0.0033 -0.0125 243 CYS 45 CB 0.0051 0.0043 -0.0186 244 CYS 45 SG 0.0056 0.0048 -0.0194 245 CYS 45 H 0.0044 0.0033 -0.0151 246 CYS 45 HA 0.0078 0.0071 -0.0164 247 CYS 45 HB2 0.0055 0.0048 -0.0204 248 CYS 45 HB3 0.0036 0.0026 -0.0183 249 LEU 46 N 0.0100 0.0130 -0.0076 250 LEU 46 CA 0.0086 0.0126 0.0036 251 LEU 46 C 0.0049 0.0060 0.0047 252 LEU 46 O 0.0012 0.0007 0.0123 253 LEU 46 CB 0.0135 0.0224 0.0082 254 LEU 46 CG 0.0173 0.0293 0.0081 255 LEU 46 CD1 0.0223 0.0391 0.0121 256 LEU 46 CD2 0.0148 0.0259 0.0148 257 LEU 46 H 0.0136 0.0190 -0.0111 258 LEU 46 HA 0.0066 0.0097 0.0079 259 LEU 46 HB2 0.0156 0.0253 0.0038 260 LEU 46 HB3 0.0124 0.0219 0.0164 261 LEU 46 HG 0.0182 0.0295 -0.0000 262 LEU 46 HD11 0.0242 0.0417 0.0068 263 LEU 46 HD12 0.0249 0.0438 0.0123 264 LEU 46 HD13 0.0213 0.0388 0.0201 265 LEU 46 HD21 0.0115 0.0193 0.0114 266 LEU 46 HD22 0.0135 0.0251 0.0229 267 LEU 46 HD23 0.0176 0.0311 0.0147 268 ALA 47 N 0.0031 0.0091 0.0005 269 ALA 47 CA 0.0033 0.0089 0.0010 270 ALA 47 C 0.0051 0.0107 0.0012 271 ALA 47 O 0.0054 0.0111 0.0012 272 ALA 47 CB 0.0032 0.0071 0.0029 273 ALA 47 H 0.0030 0.0081 0.0015 274 ALA 47 HA 0.0022 0.0087 -0.0003 275 ALA 47 HB1 0.0033 0.0069 0.0032 276 ALA 47 HB2 0.0044 0.0072 0.0042 277 ALA 47 HB3 0.0020 0.0058 0.0028 278 CYS 48 N 0.0073 0.0089 -0.0174 279 CYS 48 CA 0.0032 0.0078 -0.0171 280 CYS 48 C 0.0020 0.0063 -0.0131 281 CYS 48 O -0.0014 0.0053 -0.0125 282 CYS 48 CB 0.0010 0.0080 -0.0193 283 CYS 48 SG 0.0016 0.0096 -0.0242 284 CYS 48 H 0.0088 0.0089 -0.0163 285 CYS 48 HA 0.0023 0.0080 -0.0185 286 CYS 48 HB2 0.0019 0.0080 -0.0188 287 CYS 48 HB3 -0.0020 0.0072 -0.0191 288 ALA 49 N 0.0030 0.0051 -0.0044 289 ALA 49 CA 0.0021 0.0014 0.0021 290 ALA 49 C -0.0034 -0.0020 0.0012 291 ALA 49 O -0.0061 -0.0059 0.0057 292 ALA 49 CB 0.0015 -0.0010 0.0062 293 ALA 49 H 0.0069 0.0082 -0.0054 294 ALA 49 HA 0.0061 0.0029 0.0045 295 ALA 49 HB1 -0.0024 -0.0025 0.0038 296 ALA 49 HB2 0.0055 0.0015 0.0067 297 ALA 49 HB3 0.0011 -0.0035 0.0110 298 ARG 50 N 0.0013 -0.0022 -0.0058 299 ARG 50 CA -0.0102 -0.0034 -0.0013 300 ARG 50 C -0.0078 -0.0082 0.0056 301 ARG 50 O 0.0009 -0.0080 0.0034 302 ARG 50 CB -0.0187 0.0033 -0.0097 303 ARG 50 CG -0.0227 0.0084 -0.0167 304 ARG 50 CD -0.0310 0.0149 -0.0248 305 ARG 50 NE -0.0348 0.0200 -0.0318 306 ARG 50 CZ -0.0413 0.0264 -0.0401 307 ARG 50 NH1 -0.0453 0.0284 -0.0423 308 ARG 50 NH2 -0.0440 0.0307 -0.0461 309 ARG 50 H 0.0062 0.0006 -0.0112 310 ARG 50 HA -0.0148 -0.0058 0.0035 311 ARG 50 HB2 -0.0140 0.0058 -0.0146 312 ARG 50 HB3 -0.0269 0.0021 -0.0059 313 ARG 50 HG2 -0.0277 0.0061 -0.0119 314 ARG 50 HG3 -0.0146 0.0098 -0.0207 315 ARG 50 HD2 -0.0262 0.0172 -0.0295 316 ARG 50 HD3 -0.0392 0.0135 -0.0208 317 ARG 50 HE -0.0321 0.0184 -0.0300 318 ARG 50 HH11 -0.0436 0.0253 -0.0379 319 ARG 50 HH12 -0.0504 0.0331 -0.0484 320 ARG 50 HH21 -0.0413 0.0293 -0.0447 321 ARG 50 HH22 -0.0487 0.0355 -0.0525 322 TYR 51 N -0.0069 -0.0058 -0.0039 323 TYR 51 CA -0.0057 -0.0039 -0.0048 324 TYR 51 C -0.0067 -0.0049 -0.0100 325 TYR 51 O -0.0091 -0.0086 -0.0113 326 TYR 51 CB -0.0066 -0.0056 -0.0011 327 TYR 51 CG -0.0059 -0.0051 0.0042 328 TYR 51 CD1 -0.0077 -0.0081 0.0067 329 TYR 51 CD2 -0.0035 -0.0016 0.0067 330 TYR 51 CE1 -0.0071 -0.0077 0.0115 331 TYR 51 CE2 -0.0029 -0.0011 0.0116 332 TYR 51 CZ -0.0047 -0.0042 0.0139 333 TYR 51 OH -0.0042 -0.0037 0.0187 334 TYR 51 H -0.0088 -0.0088 -0.0033 335 TYR 51 HA -0.0036 -0.0006 -0.0044 336 TYR 51 HB2 -0.0087 -0.0089 -0.0017 337 TYR 51 HB3 -0.0056 -0.0041 -0.0017 338 TYR 51 HD1 -0.0095 -0.0109 0.0048 339 TYR 51 HD2 -0.0021 0.0008 0.0049 340 TYR 51 HE1 -0.0085 -0.0101 0.0133 341 TYR 51 HE2 -0.0011 0.0017 0.0135 342 TYR 51 HH -0.0058 -0.0064 0.0204 343 PHE 52 N -0.0006 0.0045 -0.0109 344 PHE 52 CA -0.0012 0.0050 -0.0086 345 PHE 52 C -0.0013 0.0038 -0.0064 346 PHE 52 O -0.0006 0.0019 -0.0066 347 PHE 52 CB -0.0009 0.0041 -0.0088 348 PHE 52 CG -0.0008 0.0052 -0.0109 349 PHE 52 CD1 0.0001 0.0043 -0.0133 350 PHE 52 CD2 -0.0015 0.0071 -0.0106 351 PHE 52 CE1 0.0002 0.0053 -0.0153 352 PHE 52 CE2 -0.0014 0.0081 -0.0126 353 PHE 52 CZ -0.0005 0.0072 -0.0150 354 PHE 52 H 0.0001 0.0029 -0.0114 355 PHE 52 HA -0.0019 0.0070 -0.0085 356 PHE 52 HB2 -0.0002 0.0021 -0.0089 357 PHE 52 HB3 -0.0014 0.0044 -0.0071 358 PHE 52 HD1 0.0006 0.0028 -0.0136 359 PHE 52 HD2 -0.0021 0.0078 -0.0088 360 PHE 52 HE1 0.0008 0.0046 -0.0171 361 PHE 52 HE2 -0.0019 0.0096 -0.0124 362 PHE 52 HZ -0.0004 0.0080 -0.0166 363 ILE 53 N 0.0036 0.0026 -0.0044 364 ILE 53 CA 0.0021 0.0009 -0.0040 365 ILE 53 C -0.0005 -0.0020 -0.0027 366 ILE 53 O -0.0016 -0.0044 -0.0035 367 ILE 53 CB 0.0022 0.0030 -0.0016 368 ILE 53 CG1 0.0013 0.0046 0.0017 369 ILE 53 CG2 0.0047 0.0054 -0.0032 370 ILE 53 CD1 0.0012 0.0066 0.0042 371 ILE 53 H 0.0043 0.0048 -0.0031 372 ILE 53 HA 0.0030 0.0000 -0.0063 373 ILE 53 HB 0.0010 0.0015 -0.0013 374 ILE 53 HG12 0.0024 0.0060 0.0014 375 ILE 53 HG13 -0.0006 0.0027 0.0027 376 ILE 53 HG21 0.0060 0.0069 -0.0037 377 ILE 53 HG22 0.0053 0.0042 -0.0054 378 ILE 53 HG23 0.0047 0.0069 -0.0015 379 ILE 53 HD11 -0.0001 0.0052 0.0047 380 ILE 53 HD12 0.0005 0.0077 0.0065 381 ILE 53 HD13 0.0030 0.0085 0.0033 382 ASP 54 N 0.0002 0.0032 0.0015 383 ASP 54 CA -0.0014 -0.0028 0.0047 384 ASP 54 C -0.0013 -0.0052 0.0026 385 ASP 54 O -0.0002 -0.0012 0.0006 386 ASP 54 CB -0.0030 -0.0016 0.0121 387 ASP 54 CG -0.0047 -0.0078 0.0158 388 ASP 54 OD1 -0.0055 -0.0116 0.0166 389 ASP 54 OD2 -0.0054 -0.0088 0.0179 390 ASP 54 H 0.0009 0.0062 0.0004 391 ASP 54 HA -0.0016 -0.0065 0.0033 392 ASP 54 HB2 -0.0030 0.0003 0.0134 393 ASP 54 HB3 -0.0028 0.0020 0.0135 394 SER 55 N 0.0004 -0.0090 0.0099 395 SER 55 CA 0.0010 -0.0139 0.0063 396 SER 55 C 0.0007 -0.0121 0.0096 397 SER 55 O 0.0009 -0.0124 0.0053 398 SER 55 CB 0.0017 -0.0227 0.0075 399 SER 55 OG 0.0022 -0.0278 0.0044 400 SER 55 H 0.0006 -0.0116 0.0130 401 SER 55 HA 0.0010 -0.0127 0.0000 402 SER 55 HB2 0.0018 -0.0237 0.0045 403 SER 55 HB3 0.0016 -0.0239 0.0137 404 SER 55 HG 0.0022 -0.0289 0.0084 405 THR 56 N -0.0040 -0.0153 0.0157 406 THR 56 CA -0.0052 -0.0112 0.0208 407 THR 56 C -0.0054 -0.0002 0.0152 408 THR 56 O -0.0052 0.0016 0.0130 409 THR 56 CB -0.0073 -0.0094 0.0332 410 THR 56 OG1 -0.0071 -0.0193 0.0381 411 THR 56 CG2 -0.0085 -0.0066 0.0390 412 THR 56 H -0.0047 -0.0157 0.0204 413 THR 56 HA -0.0044 -0.0173 0.0198 414 THR 56 HB -0.0081 -0.0025 0.0338 415 THR 56 HG1 -0.0069 -0.0189 0.0365 416 THR 56 HG21 -0.0100 -0.0053 0.0477 417 THR 56 HG22 -0.0077 -0.0134 0.0382 418 THR 56 HG23 -0.0087 0.0009 0.0354 419 ASN 57 N -0.0042 -0.0008 0.0135 420 ASN 57 CA -0.0042 0.0068 0.0094 421 ASN 57 C -0.0027 0.0056 0.0010 422 ASN 57 O -0.0026 0.0099 -0.0020 423 ASN 57 CB -0.0048 0.0121 0.0095 424 ASN 57 CG -0.0065 0.0168 0.0172 425 ASN 57 OD1 -0.0073 0.0235 0.0178 426 ASN 57 ND2 -0.0072 0.0133 0.0230 427 ASN 57 H -0.0042 -0.0020 0.0146 428 ASN 57 HA -0.0051 0.0098 0.0126 429 ASN 57 HB2 -0.0043 0.0081 0.0090 430 ASN 57 HB3 -0.0043 0.0162 0.0045 431 ASN 57 HD21 -0.0066 0.0080 0.0225 432 ASN 57 HD22 -0.0083 0.0164 0.0280 433 LEU 58 N 0.0001 0.0023 -0.0047 434 LEU 58 CA 0.0013 0.0014 -0.0085 435 LEU 58 C 0.0019 0.0001 -0.0094 436 LEU 58 O 0.0021 0.0015 -0.0122 437 LEU 58 CB 0.0024 -0.0015 -0.0093 438 LEU 58 CG 0.0038 -0.0033 -0.0131 439 LEU 58 CD1 0.0048 -0.0064 -0.0130 440 LEU 58 CD2 0.0037 -0.0004 -0.0163 441 LEU 58 H 0.0001 0.0007 -0.0029 442 LEU 58 HA 0.0009 0.0039 -0.0102 443 LEU 58 HB2 0.0019 -0.0001 -0.0091 444 LEU 58 HB3 0.0025 -0.0036 -0.0071 445 LEU 58 HG 0.0043 -0.0045 -0.0136 446 LEU 58 HD11 0.0058 -0.0076 -0.0157 447 LEU 58 HD12 0.0043 -0.0054 -0.0125 448 LEU 58 HD13 0.0049 -0.0085 -0.0108 449 LEU 58 HD21 0.0032 0.0008 -0.0160 450 LEU 58 HD22 0.0047 -0.0017 -0.0189 451 LEU 58 HD23 0.0030 0.0017 -0.0163 452 LYS 59 N 0.0004 -0.0070 -0.0028 453 LYS 59 CA 0.0015 -0.0084 -0.0042 454 LYS 59 C -0.0005 -0.0038 -0.0043 455 LYS 59 O 0.0003 -0.0032 -0.0076 456 LYS 59 CB 0.0025 -0.0132 -0.0007 457 LYS 59 CG 0.0002 -0.0127 0.0052 458 LYS 59 CD 0.0013 -0.0179 0.0085 459 LYS 59 CE 0.0026 -0.0196 0.0071 460 LYS 59 NZ 0.0005 -0.0161 0.0085 461 LYS 59 H 0.0001 -0.0087 0.0003 462 LYS 59 HA 0.0033 -0.0092 -0.0083 463 LYS 59 HB2 0.0034 -0.0143 -0.0021 464 LYS 59 HB3 0.0040 -0.0164 -0.0010 465 LYS 59 HG2 -0.0009 -0.0115 0.0066 466 LYS 59 HG3 -0.0013 -0.0098 0.0057 467 LYS 59 HD2 0.0029 -0.0208 0.0077 468 LYS 59 HD3 -0.0003 -0.0175 0.0127 469 LYS 59 HE2 0.0042 -0.0199 0.0029 470 LYS 59 HE3 0.0035 -0.0234 0.0093 471 LYS 59 HZ1 -0.0010 -0.0159 0.0126 472 LYS 59 HZ2 0.0015 -0.0174 0.0074 473 LYS 59 HZ3 -0.0005 -0.0123 0.0065 474 THR 60 N -0.0021 -0.0028 0.0010 475 THR 60 CA -0.0048 0.0007 -0.0001 476 THR 60 C -0.0062 0.0036 -0.0053 477 THR 60 O -0.0071 0.0055 -0.0084 478 THR 60 CB -0.0078 0.0033 0.0048 479 THR 60 OG1 -0.0064 0.0005 0.0095 480 THR 60 CG2 -0.0105 0.0070 0.0037 481 THR 60 H -0.0026 -0.0029 0.0043 482 THR 60 HA -0.0035 -0.0007 -0.0008 483 THR 60 HB -0.0089 0.0046 0.0053 484 THR 60 HG1 -0.0051 -0.0013 0.0107 485 THR 60 HG21 -0.0126 0.0087 0.0072 486 THR 60 HG22 -0.0094 0.0057 0.0030 487 THR 60 HG23 -0.0116 0.0091 0.0002 488 HIS 61 N -0.0009 0.0017 -0.0090 489 HIS 61 CA -0.0008 0.0031 -0.0115 490 HIS 61 C -0.0005 0.0018 -0.0132 491 HIS 61 O -0.0004 0.0032 -0.0147 492 HIS 61 CB -0.0006 0.0035 -0.0130 493 HIS 61 CG -0.0004 0.0041 -0.0159 494 HIS 61 ND1 -0.0004 0.0065 -0.0169 495 HIS 61 CD2 -0.0001 0.0025 -0.0181 496 HIS 61 CE1 -0.0001 0.0063 -0.0195 497 HIS 61 NE2 0.0001 0.0040 -0.0202 498 HIS 61 H -0.0009 0.0009 -0.0087 499 HIS 61 HA -0.0009 0.0051 -0.0109 500 HIS 61 HB2 -0.0008 0.0052 -0.0121 501 HIS 61 HB3 -0.0005 0.0017 -0.0128 502 HIS 61 HD1 -0.0006 0.0082 -0.0159 503 HIS 61 HD2 0.0001 0.0005 -0.0180 504 HIS 61 HE1 -0.0001 0.0076 -0.0211 505 PHE 62 N 0.0024 0.0002 -0.0047 506 PHE 62 CA 0.0023 -0.0004 -0.0052 507 PHE 62 C 0.0021 -0.0001 -0.0039 508 PHE 62 O 0.0020 -0.0006 -0.0040 509 PHE 62 CB 0.0018 -0.0020 -0.0058 510 PHE 62 CG 0.0019 -0.0025 -0.0071 511 PHE 62 CD1 0.0025 -0.0018 -0.0085 512 PHE 62 CD2 0.0014 -0.0037 -0.0068 513 PHE 62 CE1 0.0026 -0.0022 -0.0096 514 PHE 62 CE2 0.0015 -0.0041 -0.0079 515 PHE 62 CZ 0.0021 -0.0034 -0.0093 516 PHE 62 H 0.0021 -0.0005 -0.0043 517 PHE 62 HA 0.0028 0.0003 -0.0062 518 PHE 62 HB2 0.0013 -0.0028 -0.0049 519 PHE 62 HB3 0.0019 -0.0022 -0.0064 520 PHE 62 HD1 0.0029 -0.0008 -0.0087 521 PHE 62 HD2 0.0010 -0.0042 -0.0057 522 PHE 62 HE1 0.0031 -0.0016 -0.0107 523 PHE 62 HE2 0.0011 -0.0050 -0.0077 524 PHE 62 HZ 0.0021 -0.0037 -0.0102 525 ARG 63 N -0.0009 -0.0016 0.0021 526 ARG 63 CA -0.0019 -0.0002 -0.0044 527 ARG 63 C -0.0038 -0.0020 -0.0054 528 ARG 63 O -0.0050 -0.0013 -0.0106 529 ARG 63 CB -0.0048 -0.0017 -0.0088 530 ARG 63 CG -0.0025 0.0008 -0.0089 531 ARG 63 CD -0.0055 -0.0008 -0.0132 532 ARG 63 NE -0.0070 -0.0001 -0.0196 533 ARG 63 CZ -0.0091 -0.0005 -0.0246 534 ARG 63 NH1 -0.0097 -0.0014 -0.0240 535 ARG 63 NH2 -0.0105 0.0000 -0.0301 536 ARG 63 H -0.0029 -0.0042 0.0034 537 ARG 63 HA 0.0014 0.0038 -0.0055 538 ARG 63 HB2 -0.0079 -0.0056 -0.0073 539 ARG 63 HB3 -0.0057 -0.0009 -0.0135 540 ARG 63 HG2 0.0006 0.0047 -0.0105 541 ARG 63 HG3 -0.0015 0.0001 -0.0042 542 ARG 63 HD2 -0.0036 0.0012 -0.0133 543 ARG 63 HD3 -0.0084 -0.0047 -0.0115 544 ARG 63 HE -0.0065 0.0007 -0.0202 545 ARG 63 HH11 -0.0087 -0.0018 -0.0199 546 ARG 63 HH12 -0.0113 -0.0018 -0.0277 547 ARG 63 HH21 -0.0100 0.0008 -0.0307 548 ARG 63 HH22 -0.0121 -0.0003 -0.0340 549 SER 64 N -0.0035 -0.0016 -0.0044 550 SER 64 CA -0.0032 -0.0027 -0.0027 551 SER 64 C -0.0037 -0.0010 -0.0010 552 SER 64 O -0.0039 -0.0002 0.0002 553 SER 64 CB -0.0027 -0.0041 -0.0016 554 SER 64 OG -0.0024 -0.0053 -0.0032 555 SER 64 H -0.0036 -0.0014 -0.0044 556 SER 64 HA -0.0029 -0.0035 -0.0033 557 SER 64 HB2 -0.0030 -0.0032 -0.0007 558 SER 64 HB3 -0.0024 -0.0052 -0.0006 559 SER 64 HG -0.0021 -0.0064 -0.0038 560 LYS 65 N -0.0067 -0.0005 -0.0009 561 LYS 65 CA -0.0027 0.0032 -0.0013 562 LYS 65 C -0.0007 0.0029 0.0017 563 LYS 65 O 0.0031 0.0050 0.0035 564 LYS 65 CB -0.0031 0.0065 -0.0064 565 LYS 65 CG -0.0068 0.0055 -0.0097 566 LYS 65 CD -0.0065 0.0048 -0.0084 567 LYS 65 CE -0.0103 0.0039 -0.0117 568 LYS 65 NZ -0.0102 0.0029 -0.0103 569 LYS 65 H -0.0093 -0.0008 -0.0037 570 LYS 65 HA -0.0005 0.0041 0.0002 571 LYS 65 HB2 -0.0002 0.0090 -0.0064 572 LYS 65 HB3 -0.0033 0.0073 -0.0079 573 LYS 65 HG2 -0.0068 0.0079 -0.0132 574 LYS 65 HG3 -0.0097 0.0030 -0.0097 575 LYS 65 HD2 -0.0065 0.0024 -0.0049 576 LYS 65 HD3 -0.0036 0.0074 -0.0085 577 LYS 65 HE2 -0.0101 0.0063 -0.0151 578 LYS 65 HE3 -0.0132 0.0014 -0.0118 579 LYS 65 HZ1 -0.0075 0.0052 -0.0101 580 LYS 65 HZ2 -0.0105 0.0005 -0.0071 581 LYS 65 HZ3 -0.0128 0.0024 -0.0127 582 ASP 66 N -0.0013 0.0024 0.0052 583 ASP 66 CA 0.0001 0.0019 0.0075 584 ASP 66 C 0.0005 0.0014 0.0080 585 ASP 66 O 0.0013 0.0019 0.0100 586 ASP 66 CB 0.0011 -0.0002 0.0079 587 ASP 66 CG 0.0024 -0.0005 0.0103 588 ASP 66 OD1 0.0026 0.0006 0.0116 589 ASP 66 OD2 0.0034 -0.0018 0.0111 590 ASP 66 H -0.0013 0.0012 0.0040 591 ASP 66 HA -0.0000 0.0034 0.0087 592 ASP 66 HB2 0.0007 0.0001 0.0072 593 ASP 66 HB3 0.0013 -0.0017 0.0069 594 HIS 67 N -0.0004 0.0006 0.0086 595 HIS 67 CA -0.0010 0.0013 0.0073 596 HIS 67 C -0.0032 0.0028 0.0076 597 HIS 67 O -0.0040 0.0031 0.0084 598 HIS 67 CB -0.0003 0.0014 0.0046 599 HIS 67 CG -0.0006 0.0020 0.0031 600 HIS 67 ND1 -0.0005 0.0017 0.0039 601 HIS 67 CD2 -0.0004 0.0023 0.0007 602 HIS 67 CE1 -0.0002 0.0018 0.0021 603 HIS 67 NE2 -0.0001 0.0022 0.0001 604 HIS 67 H 0.0003 0.0004 0.0077 605 HIS 67 HA -0.0003 0.0007 0.0080 606 HIS 67 HB2 0.0014 0.0004 0.0041 607 HIS 67 HB3 -0.0010 0.0021 0.0038 608 HIS 67 HD1 -0.0006 0.0014 0.0056 609 HIS 67 HD2 -0.0009 0.0028 -0.0003 610 HIS 67 HE1 0.0000 0.0017 0.0021 611 LYS 68 N -0.0002 -0.0027 0.0068 612 LYS 68 CA 0.0003 -0.0012 0.0071 613 LYS 68 C 0.0008 -0.0002 0.0079 614 LYS 68 O 0.0014 0.0007 0.0088 615 LYS 68 CB -0.0002 -0.0004 0.0056 616 LYS 68 CG -0.0008 -0.0015 0.0048 617 LYS 68 CD -0.0013 -0.0007 0.0033 618 LYS 68 CE -0.0017 -0.0002 0.0023 619 LYS 68 NZ -0.0022 0.0005 0.0008 620 LYS 68 H -0.0007 -0.0029 0.0057 621 LYS 68 HA 0.0005 -0.0015 0.0078 622 LYS 68 HB2 -0.0005 -0.0001 0.0050 623 LYS 68 HB3 0.0001 0.0006 0.0059 624 LYS 68 HG2 -0.0007 -0.0021 0.0054 625 LYS 68 HG3 -0.0012 -0.0026 0.0045 626 LYS 68 HD2 -0.0010 0.0004 0.0035 627 LYS 68 HD3 -0.0017 -0.0014 0.0027 628 LYS 68 HE2 -0.0020 -0.0013 0.0021 629 LYS 68 HE3 -0.0013 0.0006 0.0028 630 LYS 68 HZ1 -0.0019 0.0016 0.0009 631 LYS 68 HZ2 -0.0025 0.0008 0.0001 632 LYS 68 HZ3 -0.0026 -0.0003 0.0003 633 LYS 69 N -0.0015 0.0022 0.0101 634 LYS 69 CA -0.0011 0.0027 0.0107 635 LYS 69 C 0.0004 0.0029 0.0076 636 LYS 69 O -0.0003 0.0020 0.0068 637 LYS 69 CB 0.0006 0.0049 0.0132 638 LYS 69 CG 0.0020 0.0062 0.0137 639 LYS 69 CD 0.0037 0.0083 0.0161 640 LYS 69 CE 0.0054 0.0099 0.0167 641 LYS 69 NZ 0.0071 0.0120 0.0190 642 LYS 69 H -0.0008 0.0032 0.0114 643 LYS 69 HA -0.0029 0.0016 0.0116 644 LYS 69 HB2 -0.0007 0.0047 0.0155 645 LYS 69 HB3 0.0020 0.0059 0.0127 646 LYS 69 HG2 0.0031 0.0063 0.0113 647 LYS 69 HG3 0.0005 0.0053 0.0146 648 LYS 69 HD2 0.0024 0.0081 0.0183 649 LYS 69 HD3 0.0050 0.0090 0.0152 650 LYS 69 HE2 0.0066 0.0101 0.0145 651 LYS 69 HE3 0.0042 0.0093 0.0178 652 LYS 69 HZ1 0.0084 0.0132 0.0194 653 LYS 69 HZ2 0.0083 0.0126 0.0180 654 LYS 69 HZ3 0.0060 0.0118 0.0211 655 ARG 70 N 0.0030 0.0005 0.0068 656 ARG 70 CA -0.0038 0.0045 0.0032 657 ARG 70 C -0.0013 0.0038 0.0054 658 ARG 70 O -0.0050 0.0031 0.0005 659 ARG 70 CB -0.0093 0.0134 0.0063 660 ARG 70 CG -0.0169 0.0177 0.0021 661 ARG 70 CD -0.0213 0.0134 -0.0072 662 ARG 70 NE -0.0285 0.0172 -0.0114 663 ARG 70 CZ -0.0317 0.0132 -0.0192 664 ARG 70 NH1 -0.0283 0.0052 -0.0235 665 ARG 70 NH2 -0.0383 0.0171 -0.0225 666 ARG 70 H 0.0039 0.0040 0.0115 667 ARG 70 HA -0.0068 0.0013 -0.0034 668 ARG 70 HB2 -0.0103 0.0139 0.0057 669 ARG 70 HB3 -0.0063 0.0165 0.0128 670 ARG 70 HG2 -0.0205 0.0239 0.0046 671 ARG 70 HG3 -0.0158 0.0176 0.0034 672 ARG 70 HD2 -0.0177 0.0072 -0.0095 673 ARG 70 HD3 -0.0226 0.0136 -0.0084 674 ARG 70 HE -0.0311 0.0230 -0.0083 675 ARG 70 HH11 -0.0233 0.0019 -0.0213 676 ARG 70 HH12 -0.0306 0.0021 -0.0293 677 ARG 70 HH21 -0.0410 0.0231 -0.0193 678 ARG 70 HH22 -0.0410 0.0145 -0.0282 679 LEU 71 N -0.0008 0.0023 0.0081 680 LEU 71 CA 0.0006 0.0016 0.0094 681 LEU 71 C 0.0024 0.0009 0.0081 682 LEU 71 O 0.0033 0.0005 0.0084 683 LEU 71 CB 0.0009 0.0013 0.0111 684 LEU 71 CG -0.0007 0.0019 0.0126 685 LEU 71 CD1 -0.0001 0.0016 0.0143 686 LEU 71 CD2 -0.0016 0.0023 0.0133 687 LEU 71 H -0.0012 0.0025 0.0084 688 LEU 71 HA 0.0001 0.0018 0.0099 689 LEU 71 HB2 0.0014 0.0012 0.0105 690 LEU 71 HB3 0.0020 0.0008 0.0120 691 LEU 71 HG -0.0017 0.0024 0.0118 692 LEU 71 HD11 0.0009 0.0011 0.0152 693 LEU 71 HD12 0.0005 0.0013 0.0138 694 LEU 71 HD13 -0.0013 0.0020 0.0153 695 LEU 71 HD21 -0.0022 0.0026 0.0121 696 LEU 71 HD22 -0.0006 0.0018 0.0141 697 LEU 71 HD23 -0.0028 0.0027 0.0144 698 LYS 72 N 0.0094 -0.0025 0.0033 699 LYS 72 CA 0.0082 -0.0056 0.0029 700 LYS 72 C 0.0109 -0.0041 -0.0019 701 LYS 72 O 0.0105 -0.0076 -0.0050 702 LYS 72 CB 0.0064 -0.0044 0.0085 703 LYS 72 CG 0.0050 -0.0075 0.0087 704 LYS 72 CD 0.0031 -0.0063 0.0145 705 LYS 72 CE 0.0016 -0.0094 0.0147 706 LYS 72 NZ -0.0003 -0.0085 0.0204 707 LYS 72 H 0.0092 0.0000 0.0067 708 LYS 72 HA 0.0066 -0.0099 0.0020 709 LYS 72 HB2 0.0046 -0.0054 0.0118 710 LYS 72 HB3 0.0081 -0.0000 0.0094 711 LYS 72 HG2 0.0068 -0.0061 0.0057 712 LYS 72 HG3 0.0034 -0.0118 0.0076 713 LYS 72 HD2 0.0013 -0.0075 0.0175 714 LYS 72 HD3 0.0047 -0.0019 0.0155 715 LYS 72 HE2 0.0034 -0.0080 0.0118 716 LYS 72 HE3 0.0002 -0.0138 0.0134 717 LYS 72 HZ1 0.0011 -0.0044 0.0217 718 LYS 72 HZ2 -0.0021 -0.0098 0.0233 719 LYS 72 HZ3 -0.0013 -0.0107 0.0204 720 GLN 73 N 0.0053 -0.0044 -0.0056 721 GLN 73 CA 0.0011 -0.0039 -0.0127 722 GLN 73 C -0.0006 -0.0018 -0.0109 723 GLN 73 O -0.0005 -0.0038 -0.0158 724 GLN 73 CB -0.0054 0.0002 -0.0157 725 GLN 73 CG -0.0043 -0.0017 -0.0182 726 GLN 73 CD -0.0109 0.0025 -0.0208 727 GLN 73 OE1 -0.0159 0.0077 -0.0179 728 GLN 73 NE2 -0.0111 0.0005 -0.0262 729 GLN 73 H 0.0035 -0.0019 -0.0029 730 GLN 73 HA 0.0039 -0.0080 -0.0174 731 GLN 73 HB2 -0.0081 0.0042 -0.0110 732 GLN 73 HB3 -0.0085 0.0006 -0.0209 733 GLN 73 HG2 -0.0019 -0.0057 -0.0232 734 GLN 73 HG3 -0.0011 -0.0023 -0.0132 735 GLN 73 HE21 -0.0070 -0.0036 -0.0283 736 GLN 73 HE22 -0.0152 0.0030 -0.0281 737 LEU 74 N 0.0004 -0.0006 -0.0074 738 LEU 74 CA -0.0007 0.0005 -0.0028 739 LEU 74 C 0.0067 -0.0022 0.0009 740 LEU 74 O 0.0070 -0.0020 0.0037 741 LEU 74 CB -0.0063 0.0038 0.0036 742 LEU 74 CG -0.0088 0.0056 0.0085 743 LEU 74 CD1 -0.0124 0.0065 0.0030 744 LEU 74 CD2 -0.0142 0.0089 0.0147 745 LEU 74 H -0.0007 0.0002 -0.0050 746 LEU 74 HA -0.0031 0.0010 -0.0069 747 LEU 74 HB2 -0.0110 0.0056 0.0009 748 LEU 74 HB3 -0.0034 0.0031 0.0076 749 LEU 74 HG -0.0041 0.0040 0.0117 750 LEU 74 HD11 -0.0143 0.0078 0.0067 751 LEU 74 HD12 -0.0172 0.0081 -0.0003 752 LEU 74 HD13 -0.0085 0.0042 -0.0011 753 LEU 74 HD21 -0.0190 0.0106 0.0117 754 LEU 74 HD22 -0.0159 0.0101 0.0181 755 LEU 74 HD23 -0.0115 0.0082 0.0187 756 SER 75 N 0.0122 -0.0039 0.0009 757 SER 75 CA 0.0212 -0.0084 0.0047 758 SER 75 C 0.0198 -0.0116 0.0155 759 SER 75 O 0.0265 -0.0156 0.0203 760 SER 75 CB 0.0288 -0.0099 0.0011 761 SER 75 OG 0.0377 -0.0141 0.0041 762 SER 75 H 0.0091 -0.0018 -0.0019 763 SER 75 HA 0.0233 -0.0083 0.0021 764 SER 75 HB2 0.0295 -0.0076 -0.0065 765 SER 75 HB3 0.0266 -0.0100 0.0037 766 SER 75 HG 0.0423 -0.0139 -0.0012 767 VAL 76 N 0.0084 -0.0037 0.0116 768 VAL 76 CA 0.0086 -0.0026 0.0164 769 VAL 76 C 0.0124 -0.0048 0.0188 770 VAL 76 O 0.0145 -0.0056 0.0212 771 VAL 76 CB 0.0054 0.0000 0.0182 772 VAL 76 CG1 0.0057 0.0011 0.0233 773 VAL 76 CG2 0.0016 0.0022 0.0160 774 VAL 76 H 0.0066 -0.0028 0.0099 775 VAL 76 HA 0.0082 -0.0022 0.0172 776 VAL 76 HB 0.0059 -0.0005 0.0174 777 VAL 76 HG11 0.0034 0.0030 0.0245 778 VAL 76 HG12 0.0053 0.0016 0.0242 779 VAL 76 HG13 0.0084 -0.0004 0.0249 780 VAL 76 HG21 -0.0006 0.0040 0.0172 781 VAL 76 HG22 0.0014 0.0015 0.0124 782 VAL 76 HG23 0.0011 0.0027 0.0167 783 GLU 77 N 0.0138 -0.0084 0.0173 784 GLU 77 CA 0.0148 -0.0086 0.0175 785 GLU 77 C 0.0154 -0.0073 0.0150 786 GLU 77 O 0.0136 -0.0066 0.0138 787 GLU 77 CB 0.0130 -0.0092 0.0191 788 GLU 77 CG 0.0100 -0.0086 0.0184 789 GLU 77 CD 0.0084 -0.0092 0.0199 790 GLU 77 OE1 0.0077 -0.0103 0.0220 791 GLU 77 OE2 0.0077 -0.0087 0.0190 792 GLU 77 H 0.0126 -0.0076 0.0160 793 GLU 77 HA 0.0167 -0.0091 0.0184 794 GLU 77 HB2 0.0137 -0.0091 0.0188 795 GLU 77 HB3 0.0131 -0.0101 0.0209 796 GLU 77 HG2 0.0092 -0.0087 0.0186 797 GLU 77 HG3 0.0099 -0.0076 0.0165 798 PRO 78 N 0.0191 -0.0165 0.0166 799 PRO 78 CA 0.0186 -0.0118 0.0152 800 PRO 78 C 0.0130 -0.0134 0.0182 801 PRO 78 O 0.0129 -0.0194 0.0203 802 PRO 78 CB 0.0255 -0.0135 0.0128 803 PRO 78 CG 0.0299 -0.0174 0.0122 804 PRO 78 CD 0.0254 -0.0211 0.0154 805 PRO 78 HA 0.0178 -0.0064 0.0137 806 PRO 78 HB2 0.0249 -0.0166 0.0141 807 PRO 78 HB3 0.0273 -0.0088 0.0103 808 PRO 78 HG2 0.0337 -0.0210 0.0118 809 PRO 78 HG3 0.0323 -0.0138 0.0099 810 PRO 78 HD2 0.0248 -0.0261 0.0174 811 PRO 78 HD3 0.0273 -0.0218 0.0148 812 TYR 79 N 0.0047 -0.0060 0.0219 813 TYR 79 CA -0.0001 -0.0053 0.0195 814 TYR 79 C 0.0018 -0.0088 0.0130 815 TYR 79 O -0.0006 -0.0104 0.0074 816 TYR 79 CB -0.0078 -0.0027 0.0190 817 TYR 79 CG -0.0100 0.0011 0.0257 818 TYR 79 CD1 -0.0095 0.0019 0.0280 819 TYR 79 CD2 -0.0125 0.0038 0.0298 820 TYR 79 CE1 -0.0113 0.0053 0.0341 821 TYR 79 CE2 -0.0144 0.0072 0.0360 822 TYR 79 CZ -0.0138 0.0079 0.0381 823 TYR 79 OH -0.0157 0.0113 0.0444 824 TYR 79 H 0.0080 -0.0054 0.0260 825 TYR 79 HA 0.0010 -0.0040 0.0233 826 TYR 79 HB2 -0.0088 -0.0038 0.0156 827 TYR 79 HB3 -0.0109 -0.0024 0.0170 828 TYR 79 HD1 -0.0075 -0.0002 0.0249 829 TYR 79 HD2 -0.0129 0.0032 0.0281 830 TYR 79 HE1 -0.0109 0.0058 0.0358 831 TYR 79 HE2 -0.0163 0.0093 0.0391 832 TYR 79 HH -0.0135 0.0119 0.0475 833 SER 80 N 0.0029 -0.0060 0.0102 834 SER 80 CA 0.0027 -0.0066 0.0099 835 SER 80 C 0.0019 -0.0065 0.0096 836 SER 80 O 0.0015 -0.0059 0.0096 837 SER 80 CB 0.0033 -0.0068 0.0100 838 SER 80 OG 0.0032 -0.0075 0.0097 839 SER 80 H 0.0030 -0.0055 0.0103 840 SER 80 HA 0.0028 -0.0071 0.0097 841 SER 80 HB2 0.0038 -0.0068 0.0102 842 SER 80 HB3 0.0032 -0.0064 0.0101 843 SER 80 HG 0.0034 -0.0079 0.0097 844 GLN 81 N -0.0008 -0.0078 0.0021 845 GLN 81 CA 0.0001 -0.0078 0.0002 846 GLN 81 C 0.0005 -0.0091 0.0006 847 GLN 81 O 0.0005 -0.0104 0.0020 848 GLN 81 CB 0.0010 -0.0087 -0.0011 849 GLN 81 CG 0.0019 -0.0085 -0.0031 850 GLN 81 CD 0.0029 -0.0094 -0.0045 851 GLN 81 OE1 0.0033 -0.0108 -0.0038 852 GLN 81 NE2 0.0033 -0.0087 -0.0063 853 GLN 81 H -0.0006 -0.0084 0.0025 854 GLN 81 HA -0.0004 -0.0064 -0.0004 855 GLN 81 HB2 0.0007 -0.0079 -0.0012 856 GLN 81 HB3 0.0015 -0.0101 -0.0005 857 GLN 81 HG2 0.0021 -0.0092 -0.0030 858 GLN 81 HG3 0.0014 -0.0070 -0.0037 859 GLN 81 HE21 0.0029 -0.0075 -0.0066 860 GLN 81 HE22 0.0040 -0.0092 -0.0072 861 GLU 82 N 0.0022 -0.0099 -0.0019 862 GLU 82 CA 0.0023 -0.0102 -0.0021 863 GLU 82 C 0.0023 -0.0102 -0.0020 864 GLU 82 O 0.0024 -0.0104 -0.0022 865 GLU 82 CB 0.0022 -0.0106 -0.0021 866 GLU 82 CG 0.0023 -0.0110 -0.0024 867 GLU 82 CD 0.0022 -0.0114 -0.0024 868 GLU 82 OE1 0.0020 -0.0115 -0.0022 869 GLU 82 OE2 0.0024 -0.0115 -0.0026 870 GLU 82 H 0.0024 -0.0097 -0.0020 871 GLU 82 HA 0.0026 -0.0101 -0.0023 872 GLU 82 HB2 0.0023 -0.0106 -0.0022 873 GLU 82 HB3 0.0020 -0.0107 -0.0019 874 GLU 82 HG2 0.0023 -0.0110 -0.0023 875 GLU 82 HG3 0.0026 -0.0109 -0.0026 876 GLU 83 N -0.0004 -0.0097 0.0028 877 GLU 83 CA -0.0039 -0.0064 0.0073 878 GLU 83 C -0.0079 -0.0017 0.0046 879 GLU 83 O -0.0105 0.0014 0.0041 880 GLU 83 CB -0.0033 -0.0079 0.0130 881 GLU 83 CG -0.0067 -0.0047 0.0180 882 GLU 83 CD -0.0057 -0.0066 0.0238 883 GLU 83 OE1 -0.0059 -0.0065 0.0242 884 GLU 83 OE2 -0.0047 -0.0083 0.0280 885 GLU 83 H -0.0001 -0.0098 0.0008 886 GLU 83 HA -0.0041 -0.0064 0.0083 887 GLU 83 HB2 -0.0005 -0.0112 0.0148 888 GLU 83 HB3 -0.0029 -0.0082 0.0119 889 GLU 83 HG2 -0.0094 -0.0015 0.0166 890 GLU 83 HG3 -0.0073 -0.0042 0.0189 891 ALA 84 N -0.0080 -0.0029 0.0057 892 ALA 84 CA -0.0118 0.0013 0.0029 893 ALA 84 C -0.0107 0.0015 -0.0038 894 ALA 84 O -0.0128 0.0042 -0.0071 895 ALA 84 CB -0.0132 0.0024 0.0050 896 ALA 84 H -0.0058 -0.0052 0.0061 897 ALA 84 HA -0.0142 0.0036 0.0042 898 ALA 84 HB1 -0.0159 0.0055 0.0028 899 ALA 84 HB2 -0.0107 0.0001 0.0039 900 ALA 84 HB3 -0.0142 0.0025 0.0097 901 GLU 85 N -0.0021 -0.0004 -0.0040 902 GLU 85 CA -0.0009 -0.0005 -0.0068 903 GLU 85 C -0.0000 -0.0034 -0.0085 904 GLU 85 O -0.0000 -0.0062 -0.0079 905 GLU 85 CB -0.0011 -0.0011 -0.0062 906 GLU 85 CG -0.0001 -0.0006 -0.0090 907 GLU 85 CD 0.0011 -0.0033 -0.0113 908 GLU 85 OE1 0.0012 -0.0058 -0.0110 909 GLU 85 OE2 0.0019 -0.0029 -0.0136 910 GLU 85 H -0.0020 -0.0022 -0.0036 911 GLU 85 HA -0.0006 0.0018 -0.0081 912 GLU 85 HB2 -0.0020 0.0005 -0.0044 913 GLU 85 HB3 -0.0013 -0.0036 -0.0053 914 GLU 85 HG2 0.0001 0.0016 -0.0100 915 GLU 85 HG3 -0.0004 -0.0001 -0.0082 916 ARG 86 N 0.0004 -0.0019 -0.0202 917 ARG 86 CA 0.0007 -0.0008 -0.0186 918 ARG 86 C -0.0003 -0.0009 -0.0176 919 ARG 86 O -0.0017 -0.0019 -0.0178 920 ARG 86 CB 0.0006 -0.0002 -0.0174 921 ARG 86 CG -0.0010 -0.0012 -0.0172 922 ARG 86 CD -0.0027 -0.0018 -0.0164 923 ARG 86 NE -0.0041 -0.0028 -0.0165 924 ARG 86 CZ -0.0057 -0.0037 -0.0162 925 ARG 86 NH1 -0.0061 -0.0037 -0.0157 926 ARG 86 NH2 -0.0068 -0.0045 -0.0164 927 ARG 86 H -0.0008 -0.0027 -0.0203 928 ARG 86 HA 0.0020 -0.0001 -0.0189 929 ARG 86 HB2 0.0005 0.0005 -0.0160 930 ARG 86 HB3 0.0017 0.0002 -0.0178 931 ARG 86 HG2 -0.0009 -0.0007 -0.0164 932 ARG 86 HG3 -0.0010 -0.0019 -0.0185 933 ARG 86 HD2 -0.0027 -0.0022 -0.0171 934 ARG 86 HD3 -0.0027 -0.0011 -0.0150 935 ARG 86 HE -0.0038 -0.0028 -0.0168 936 ARG 86 HH11 -0.0053 -0.0031 -0.0155 937 ARG 86 HH12 -0.0073 -0.0044 -0.0154 938 ARG 86 HH21 -0.0065 -0.0045 -0.0167 939 ARG 86 HH22 -0.0081 -0.0052 -0.0162 940 ALA 87 N 0.0007 -0.0008 -0.0187 941 ALA 87 CA -0.0001 -0.0009 -0.0203 942 ALA 87 C -0.0019 0.0008 -0.0136 943 ALA 87 O 0.0003 0.0006 -0.0122 944 ALA 87 CB 0.0067 -0.0029 -0.0230 945 ALA 87 H 0.0051 -0.0012 -0.0163 946 ALA 87 HA -0.0042 -0.0008 -0.0243 947 ALA 87 HB1 0.0108 -0.0030 -0.0191 948 ALA 87 HB2 0.0079 -0.0041 -0.0277 949 ALA 87 HB3 0.0061 -0.0030 -0.0240 950 ALA 88 N -0.0104 0.0067 -0.0126 951 ALA 88 CA -0.0097 0.0074 -0.0158 952 ALA 88 C -0.0050 -0.0010 -0.0148 953 ALA 88 O -0.0004 -0.0051 -0.0210 954 ALA 88 CB -0.0090 0.0117 -0.0256 955 ALA 88 H -0.0073 0.0026 -0.0146 956 ALA 88 HA -0.0133 0.0110 -0.0117 957 ALA 88 HB1 -0.0053 0.0081 -0.0298 958 ALA 88 HB2 -0.0124 0.0177 -0.0262 959 ALA 88 HB3 -0.0086 0.0123 -0.0277 960 GLY 89 N 0.0062 -0.0082 0.0064 961 GLY 89 CA 0.0003 -0.0159 0.0093 962 GLY 89 C 0.0061 -0.0160 0.0172 963 GLY 89 O 0.0123 -0.0162 0.0257 964 GLY 89 H 0.0126 -0.0029 0.0078 965 GLY 89 HA2 -0.0035 -0.0221 0.0127 966 GLY 89 HA3 -0.0045 -0.0156 0.0024 967 MET 90 N -0.0014 -0.0174 0.0397 968 MET 90 CA -0.0037 -0.0164 0.0281 969 MET 90 C -0.0151 -0.0131 0.0441 970 MET 90 O -0.0048 -0.0168 0.0585 971 MET 90 CB 0.0187 -0.0235 0.0189 972 MET 90 CG 0.0179 -0.0228 0.0023 973 MET 90 SD 0.0064 -0.0193 0.0143 974 MET 90 CE 0.0105 -0.0201 -0.0091 975 MET 90 H -0.0089 -0.0148 0.0329 976 MET 90 HA -0.0145 -0.0124 0.0138 977 MET 90 HB2 0.0269 -0.0259 0.0099 978 MET 90 HB3 0.0284 -0.0271 0.0335 979 MET 90 HG2 0.0081 -0.0192 -0.0124 980 MET 90 HG3 0.0343 -0.0280 -0.0037 981 MET 90 HE1 0.0018 -0.0168 -0.0240 982 MET 90 HE2 0.0044 -0.0182 -0.0043 983 MET 90 HE3 0.0277 -0.0256 -0.0132 984 GLY 91 N 0.0165 0.0039 0.0077 985 GLY 91 CA 0.0176 0.0301 -0.0134 986 GLY 91 C 0.0064 0.0187 -0.0056 987 GLY 91 O 0.0314 0.0195 -0.0032 988 GLY 91 H 0.0337 -0.0133 0.0238 989 GLY 91 HA2 -0.0034 0.0466 -0.0294 990 GLY 91 HA3 0.0477 0.0416 -0.0190 991 SER 92 N -0.0439 0.0226 0.0066 992 SER 92 CA -0.0510 0.0194 0.0054 993 SER 92 C -0.0565 0.0236 0.0080 994 SER 92 O -0.0557 0.0252 0.0088 995 SER 92 CB -0.0504 0.0129 0.0018 996 SER 92 OG -0.0452 0.0092 -0.0006 997 SER 92 H -0.0414 0.0235 0.0069 998 SER 92 HA -0.0527 0.0186 0.0050 999 SER 92 HB2 -0.0487 0.0137 0.0021 1000 SER 92 HB3 -0.0557 0.0104 0.0007 1001 SER 92 HG -0.0426 0.0121 0.0008 1002 TYR 93 N -0.0049 0.0219 -0.0267 1003 TYR 93 CA -0.0102 0.0241 0.0116 1004 TYR 93 C 0.0098 -0.0212 0.0963 1005 TYR 93 O 0.0358 -0.0646 0.1083 1006 TYR 93 CB 0.0168 -0.0089 -0.0494 1007 TYR 93 CG 0.0091 -0.0007 -0.0239 1008 TYR 93 CD1 -0.0269 0.0607 -0.0505 1009 TYR 93 CD2 0.0375 -0.0540 0.0263 1010 TYR 93 CE1 -0.0345 0.0692 -0.0277 1011 TYR 93 CE2 0.0301 -0.0459 0.0494 1012 TYR 93 CZ -0.0059 0.0156 0.0221 1013 TYR 93 OH -0.0135 0.0240 0.0456 1014 TYR 93 H 0.0267 -0.0253 -0.0454 1015 TYR 93 HA -0.0463 0.0799 0.0223 1016 TYR 93 HB2 0.0068 0.0170 -0.1124 1017 TYR 93 HB3 0.0532 -0.0662 -0.0528 1018 TYR 93 HD1 -0.0493 0.1026 -0.0898 1019 TYR 93 HD2 0.0658 -0.1024 0.0477 1020 TYR 93 HE1 -0.0628 0.1176 -0.0490 1021 TYR 93 HE2 0.0524 -0.0878 0.0885 1022 TYR 93 HH -0.0132 0.0137 0.1067 1023 VAL 94 N 0.0247 -0.0273 0.0874 1024 VAL 94 CA 0.0113 0.0015 0.0302 1025 VAL 94 C -0.0202 0.0628 0.0384 1026 VAL 94 O -0.0311 0.0836 0.0534 1027 VAL 94 CB 0.0232 -0.0196 -0.0193 1028 VAL 94 CG1 0.0212 -0.0165 0.0002 1029 VAL 94 CG2 0.0093 0.0101 -0.0788 1030 VAL 94 H 0.0375 -0.0527 0.0928 1031 VAL 94 HA 0.0154 -0.0060 0.0157 1032 VAL 94 HB 0.0446 -0.0613 -0.0262 1033 VAL 94 HG11 0.0296 -0.0315 -0.0353 1034 VAL 94 HG12 -0.0000 0.0246 0.0094 1035 VAL 94 HG13 0.0325 -0.0406 0.0403 1036 VAL 94 HG21 -0.0124 0.0524 -0.0725 1037 VAL 94 HG22 0.0178 -0.0049 -0.1119 1038 VAL 94 HG23 0.0128 0.0040 -0.0941